3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide

C18H15F5N2O2 — CID 113130502

IUPAC3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F5N2O2/c1-11(26)25(14-4-2-3-12(9-14)18(21,22)23)8-7-17(27)24-16-6-5-13(19)10-15(16)20/h2-6,9-10H,7-8H2,1H3,(H,24,27)
InChIKeyIHQZVQZTWFFYHI-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.37
Rot. Bonds5

About 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113130502) has the molecular formula C18H15F5N2O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113130502
Molecular FormulaC18H15F5N2O2
Molecular Weight386.32 g/mol
Exact Mass386.11
IUPAC Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F5N2O2/c1-11(26)25(14-4-2-3-12(9-14)18(21,22)23)8-7-17(27)24-16-6-5-13(19)10-15(16)20/h2-6,9-10H,7-8H2,1H3,(H,24,27)
InChIKeyIHQZVQZTWFFYHI-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
CID 113132672
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
ethyl 4-[acetyl-[3-(2,4-difluoroanilino)-3-oxopropyl]amino]benzoate
CID 113133381
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113123700
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
CID 113130495
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
2-(N,3-diacetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113175525

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide (CID 113130502) is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is IHQZVQZTWFFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O2/c1-11(26)25(14-4-2-3-12(9-14)18(21,22)23)8-7-17(27)24-16-6-5-13(19)10-15(16)20/h2-6,9-10H,7-8H2,1H3,(H,24,27).
What are the key properties of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide?
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 386.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113130502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).